BDBM50125281 2-[5-(2-Amino-ethyl)-2-(4-fluoro-benzylsulfanyl)-4-oxo-4H-pyrimidin-1-yl]-N-(2-diethylamino-ethyl)-N-(4'-trifluoromethyl-biphenyl-4-ylmethyl)-acetamide::CHEMBL10619

SMILES: CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(CCN)c(=O)nc1SCc1ccc(F)cc1

InChI Key: InChIKey=LXBKJRLFVHOULJ-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125281   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
LDL-associated phospholipase A2 (Homo sapiens (Human))	BDBM50125281 (2-[5-(2-Amino-ethyl)-2-(4-fluoro-benzylsulfanyl)-4...) Show SMILES CCN(CC)CCN(Cc1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C(=O)Cn1cc(CCN)c(=O)nc1SCc1ccc(F)cc1 Show InChI InChI=1S/C35H39F4N5O2S/c1-3-42(4-2)19-20-43(21-25-5-9-27(10-6-25)28-11-13-30(14-12-28)35(37,38)39)32(45)23-44-22-29(17-18-40)33(46)41-34(44)47-24-26-7-15-31(36)16-8-26/h5-16,22H,3-4,17-21,23-24,40H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Lp-PLA2				Bioorg Med Chem Lett 13: 1067-70 (2003) BindingDB Entry DOI: 10.7270/Q2S75FPD
					More data for this Ligand-Target Pair